846 resultados para Gibbs isotherm


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The objectives of the current study were to assess the feasibility of using stayability traits to improve fertility of Nellore cows and to examine the genetic relationship among the stayabilities at different ages. Stayability was defined as whether a cow calved every year up to the age of 5 (Stay5), 6 (Stay6), or 7 (Stay7) yr of age or more, given that she was provided the opportunity to breed. Data were analyzed based on a maximum a posteriori probit threshold model to predict breeding values on the liability scale, whereas the Gibbs sampler was used to estimate variance components. The EBV were obtained using all animals included in the pedigree or bulls with at least 10 daughters with stayability observations, and average genetic trends were obtained in the liability and transformed to the probability scale. Additional analyses were performed to study the genetic relationship among stayability traits, which were compared by contrasting results in terms of EBV and the average genetic superiority as a function of the selected proportion of sires. Heritability estimates and SD were 0.25 +/- 0.02, 0.22 +/- 0.03, and 0.28 +/- 0.03 for Stay5, Stay6, and Stay7, respectively. Average genetic trends, by year, were 0.51 +/- 0.34, and 0.38% for Stay5, Stay6, and Stay7, respectively. Estimates of EBV SD, in the probability scale, for all animals included in the pedigree and for bulls with at least 10 daughters with stayability observations were 7.98 and 12.95, 6.93 and 11.38, and 8.24 and 14.30% for Stay5, Stay6, and Stay7, respectively. A reduction in the average genetic superiorities in Stay7 would be expected if the selection were based on Stay5 or Stay6. Nonetheless, the reduction in EPD, depending on selection intensity, is on average 0.74 and 1.55%, respectively. Regressions of the sires' EBV for Stay5 and Stay6 on the sires' EBV for Stay7 confirmed these results. The heritability and genetic trend estimates for all stayability traits indicate that it is possible to improve fertility with selection based on a threshold analysis of stayability. The SD of EBV for stayability traits show that there is adequate genetic variability among animals to justify inclusion of stayability as a selection criterion. The potential linear relationship among stayability traits indicates that selection for improved female traits would be more effective by having predictions on the Stay5 trait.

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We used dynamic light scattering (DLS), a steady-state fluorescence, time resolved fluorescence quenching (TRFQ), tensiometry, conductimetry, and isothermal titration calorimetry (ITC) to investigate the self-assembly of the cationic surfactant cetyltrimethylammonium sulfate (CTAS) in aqueous solution, which has SO42- as divalent counterion. We obtained the critical micelled concentration (cmc), aggregation number (N-agg), area per monomer (a(0)), hydrodynamic radius (R-H), and degree of counterion dissociation (alpha) of CTAS micelles in the absence and presence of up to 1 M Na2SO4 and at temperatures of 25 and 40 degrees C. Between 0.01 and 0.3 M salt the hydrodynamic radius of CTAS micelle R-H approximate to 16 angstrom is roughly independent on Na2SO4 concentration; below and above this concentration range R-H increases steeply with the salt concentration, indicating micelle structure transition, from spherical to rod-like structures. R-H increases only slightly as temperature increases from 25 to 40 degrees C, and the cmc decreases initially very steeply with Na2SO4 concentration up to about 10 mM, and thereafter it is constant. The area per surfactant at the water/air interface, a(0), initially increases steeply with Na2SO4 concentration, and then decrases above ca. 10 mM. Conductimetry gives alpha = 0.18 for the degree of counterion dissociation, and N-agg obtained by fluorescence methods increases with surfactant concentration but it is roughly independent of up to 80 mM salt. The ITC data yield cmc of 0.22 mM in water, and the calculated enthalpy change of micelle formation, Delta H-mic = 3.8 kJ mol(-1), Gibbs free energy of micellization of surfactant molecules, Delta G(mic) = -38.0 kJ mol(-1) and entropy T Delta S-mic = 41.7 kJ mol(-1) indicate that the formation of CTAS micelles is entropy-driven. (c) 2006 Elsevier B.V. All rights reserved.

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Aspergillus niger on paramorphogenic form showed to be efficient adsorbent to reactive azo dye Procion Blue MX-G, where it has obtained rates of colour removal above 99% in acid pH, at 120 minutes of equilibrium time. Temperature did not exert expressive influence in the process, and the applicability of Freundlich's, isotherm suggest the occurrence of various molecules layers of adsorbed dye on the substratum surface.

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The aim of this study was to estimate genetic parameters for racing performance traits in Quarter Horses in Brazil. The data (provided by the Sorocaba Jockey Club) came from 3 Brazilian hippodromes in 1994-2003, with 11875 observations of race time and 7775 of the speed index (Sl), distributed in 2403 and 2169 races, respectively. The variance components were estimated by the MTGSAM program, under animal models including the random additive genetic effect, random permanent environmental effect, and the fixed effects of sex, age and race. Heritabilities for race time and the SI, for the 3 distances studied (301, 365 and 402 in), varied from 0.26 to 0.41 and from 0. 14 to 0. 19, respectively, whereas repeatabilities varied from 0.36 to 0.68 (time) and from 0.27 to 0.42 (SI) and the genetic correlations from 0.90 to 0.97 (time) and from 0.67 to 0.73 (SI).

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The Poisson-Boltzmann equation (PBE), with specific ion-surface interactions and a cell model, was used to calculate the electrostatic properties of aqueous solutions containing vesicles of ionic amphiphiles. Vesicles are assumed to be water- and ion-permeable hollow spheres and specific ion adsorption at the surfaces was calculated using a Volmer isotherm. We solved the PBE numerically for a range of amphiphile and salt concentrations (up to 0.1 M) and calculated co-ion and counterion distributions in the inside and outside of vesicles as well as the fields and electrical potentials. The calculations yield results that are consistent with measured values for vesicles of synthetic amphiphiles.

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The effect of acetylacetone (acac) complexing ligand on the formation and growth of tin oxide-based nanoparticles during thermohydrolysis at 70 degreesC of a tin precursor SnCl4-n(acac)(n) (0 less than or equal to n less than or equal to 2) solution was analyzed by in situ small-angle X-ray scattering. A. transparent and stable sol was obtained after 2 h of thermohydrolysis at 70 degreesC, allowing the quantitative determination of the particle volume distribution function and its variation with the reaction time. The number of colloidal particles for equivalent thermohydrolysis temperature and time decreases as the [acac]/[Sn] ratio in initial solution increases from 0.5 to 6. Instead, the amount of soluble species remaining in solution increases for increasing [acac]/[Sn] ratio within the same range. This indicates that increasing amounts of Sn-acetylacetone complexes partially prevent the hydrolysis and consequent formation of colloidal particles. The N-2 adsorption isotherm characterization of freeze-dried powders demonstrates that the average pore size is approximately equal to the average size (approximate to9 Angstrom) of the colloidal primary particles in the sol, and that the porosity and surface area (approximate to200 m(2) g(-1)) are independent of the acac content in the initial solution.

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In the present work we investigate the behavior of a vortex in a long superconducting cylinder near to a columnar defect at the center. The derivations of the local magnetic field distribution and the Gibbs free energy will be carried out for a cylinder and a cavity of arbitrary sizes. From the general expressions, it is considered two particular limits: one in which the radius of the cavity is very small but the radius of the superconducting cylinder is kept finite; and one in which the radius of the superconducting cylinder is taken very large (infinite) but the radius of the cavity is kept finite. In both cases the maximum number of vortices which are allowed in the cavity is determined. In addition, the surface barrier field for flux entrance into the cavity is calculated. (c) 2005 Elsevier B.V. All rights reserved.

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This study aimed to: a) to compare the covariance components obtained by Restricted Maximum Likelihood (REML) and by bayesian inference (BI): b) to run genetic evaluations for weights of Canchim cattle measured at weaning (W240) and at eighteen months of age (W550), adjusted or not to 240 and 550 days of age, respectively, using the mixed model methodology with covariance components obtained by REML or by BI; and c) to compare selection decisions from genetic evaluations using observed or adjusted weights and by REML or BI. Covariance components, heritabilities and genetic correlation for W240 and W550 were estimated and the predicted breeding values were used to select 10% and 50% of the best bulls and cows, respectively. The covariance components obtained by REML were smaller than the a posteriori means obtained by Bl. Selected animals from both procedures were not the same, probably because the covariance components and genetic parameters were different. The inclusion of age of animal at weighing as a covariate in the statistical model fitted by BI did not change the selected bulls and cows.

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A side-chain methacrylate copolymer functionalized with the nonlinear optical chromophore 4-[N-ethyl-N-(2-hydroxyethyl)]amino-2'-chloro-4'-nitroazobenzene, disperse red-13, was prepared and characterized. The chromophore relaxation was investigated measuring the decay of the electrooptic coefficient r(13) and the complex dielectric constant at different temperatures. Results obtained below and above T-g were analyzed using the Kohlrausch-Williams-Watts(KWW) equation, through the study of the temperature dependence of the KWW parameters. Above T-g the relaxation time experimental data were fitted to the Williams-Landel-Ferry (WLF) equation and its parameters determined. Chromophore relaxation leading to the decrease of electrooptic properties was found associated with a primary alpha relaxation. The obtained WLF equation parameters were introduced into the Adam-Gibbs-Tool-Narayanaswamy-Moynihan equation, and the overall relaxation time temperature dependence was successfully obtained in terms of the fictive temperature, accounting for the sample thermal treatment and allowing optimized thermal treatment to be found. The copolymer KWW stretching parameter at the glass transition temperature lies close to the limit value for short-range interactions, i.e., 0.6, suggesting that the chromophore group is participating in primary a relaxation.

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On the basis of DFT calculations, an understanding on the catalytic effect of water in the dehydration reaction between VO+ and NH3 to yield VNH+ and H2O has been obtained. The Gibbs free energy profiles point out that the global process involves two consecutive hydrogen shifts from the nitrogen to the oxygen atom. The catalytic role is achieved by a water assisted mechanism in which water acts as proton donor and acceptor, via transition structures corresponding to a six-membered rings. The corresponding stationary points lie below both the entrance VO+ + NH3, and VNH+ + H2O, channels. (c) 2006 Elsevier B... All rights reserved.

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Linear mixed effects models are frequently used to analyse longitudinal data, due to their flexibility in modelling the covariance structure between and within observations. Further, it is easy to deal with unbalanced data, either with respect to the number of observations per subject or per time period, and with varying time intervals between observations. In most applications of mixed models to biological sciences, a normal distribution is assumed both for the random effects and for the residuals. This, however, makes inferences vulnerable to the presence of outliers. Here, linear mixed models employing thick-tailed distributions for robust inferences in longitudinal data analysis are described. Specific distributions discussed include the Student-t, the slash and the contaminated normal. A Bayesian framework is adopted, and the Gibbs sampler and the Metropolis-Hastings algorithms are used to carry out the posterior analyses. An example with data on orthodontic distance growth in children is discussed to illustrate the methodology. Analyses based on either the Student-t distribution or on the usual Gaussian assumption are contrasted. The thick-tailed distributions provide an appealing robust alternative to the Gaussian process for modelling distributions of the random effects and of residuals in linear mixed models, and the MCMC implementation allows the computations to be performed in a flexible manner.

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Moisture equilibrium data of pineapple pulp (PP) powders with and without additives - 18% maltodextrin (MD) or 18% gum Arabic (GA) - were determined at 20, 30, 40 and 50 degrees C by using the static gravimetric method in a water activity range of 0.06-0.90. The obtained isotherms were sigmoid, typical type 111, and the Guggenhein-Anderson-de Boer (GAB) model was fitted to the experimental data of equilibrium moisture content versus water activity. Addition of additives was shown to affect the isotherms in such a way that, at the same water activity, samples PP + GA and PP + MD presented lower equilibrium moisture content and were not so affected by varying temperature. The net isosteric heats of sorption of pulp powders with additives were higher (less negative) than those of pineapple pulp powders, suggesting that there are more active polar sites in the product without addition of GA or MD. An empirical exponential relationship could describe the heat of sorption dependence on the material moisture content. (C) 2007 Elsevier Ltd. All rights reserved.

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This study was conducted in October 1998 and November 1999 in the Emas National Park (131,868 ha), a savanna-type cerrado region situated in the far south of Goias State, Brazil, near the geographic center of South America (15degrees-23degrees S; 45degrees-55degrees W). Animals were captured with the aid of nets and anesthetized (15 mg/kg ketamine + 1 mg/kg xylasine) in order to collect ticks for identification and to establish laboratory colonies. They included giant anteaters (Myrmecophaga tridactyla) (n = 4) and yellow armadillos (Euphractus sexcinctus) (n = 6). Free-living ticks (larvae, nymphs, and adults) were collected from the field by using a 1 X 2-m flannel cloth. Free-living ticks were identified as Amblyomma sp., A. cajennense, and A. triste. Adult ticks collected from anteaters were identified as Amblyomma cajennense and A. nodosum and from armadillos as A. pseudoconcolor and A. nodosum. The relevance of these host-tick relationships to possible mechanisms underlying emergence of tick-borne pathogens of importance to public health is discussed.

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The objective of this study was to evaluate the genotype x environment interaction for weaning and yearling weights, daily weight gain from weaning to 12 months of age and the growth performance in Canchim (5/8 Charolais + 3/8 Zebu) beef cattle estimated by a principal components analysis including those three traits. The environment was defined by season of birth (first and second semesters of the year). Genetic parameters were estimated by bayesian method with the Gibbs sampler using bivariate analyses (considering the trait in each of the two seasons as a different one) and models that included the fixed effects of year and month of birth, sex and age of cow (linear and quadratic) and the random effects of animal and residual. The results suggested that genetic evaluation and selection in Canchim beef cattle for the traits studied should consider the genotype and season of birth interaction.

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The molecular mechanisms of the reaction VO2+ ((1)A(1)/(3)A'') + C2H6 ((1)A(g)) to yield V(OH)(2)(+) ((1)Sigma(+)/(3)Sigma(-)) + C2H4 ((1)A(g)) and/or VO+ ((1)Delta/(3)Sigma) + H2O ((1)A(1)) + C2H4 (Ag-1) have been investigated with density functional theory (DFT) at the B3LYP/6-311G(2d,p) level. Calculations including geometry optimization, vibrational analysis, and Gibbs free energy for the stationary points on the reactive potential energy surfaces at both the singlet (s) and first excited triplet (t) electronic states have been carried out. The most thermodynamically and kinetically favorable pathway is the formation of t-V(OH)(2)(+) + C2H4 along a four-step molecular mechanism (insertion, two consecutive hydrogen transfers, and elimination). A crossing point between s and t electronic states has been characterized. A comparison with previous works on VO2+ + C2H4 (Gracia et al. J. Phys. Chem. A 2003, 107, 3107-3120) and VO2+ + C3H8 (Engeser et al. Organometallics 2003, 22, 3933-3943) reactions allows us a rationalization of the different reactivity patterns. The catalytic role of water molecules in the tautomerization process between hydrated oxide cation, VO(H2O)(+,) and dihydroxide cation, V(OH)(2)(+), is achieved by a water-assisted mechanism.